6-chloro-N-[(1-ethyl-1H-pyrazol-4-yl)methyl]-N-(2-methoxyethyl)-2-methylimidazo[1,2-a]pyridine-3-carboxamide

• ChemBase编号: 515744
• 分子式: C18H22ClN5O2
• 平均质量: 375.85258
• 单一同位素质量: 375.14620265
• SMILES: c1(n2c(nc1C)ccc(c2)Cl)C(=O)N(Cc1cn(nc1)CC)CCOC
• Canonical SMILES: COCCN(C(=O)c1c(C)nc2n1cc(Cl)cc2)Cc1cnn(c1)CC
• InChI: InChI=1S/C18H22ClN5O2/c1-4-23-11-14(9-20-23)10-22(7-8-26-3)18(25)17-13(2)21-16-6-5-15(19)12-24(16)17/h5-6,9,11-12H,4,7-8,10H2,1-3H3
• InChIKey: XJAYOHIYCCDOJX-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 6-chloro-N-[(1-ethyl-1H-pyrazol-4-yl)methyl]-N-(2-methoxyethyl)-2-methylimidazo[1,2-a]pyridine-3-carboxamide
• IUPAC传统名: 6-chloro-N-[(1-ethylpyrazol-4-yl)methyl]-N-(2-methoxyethyl)-2-methylimidazo[1,2-a]pyridine-3-carboxamide
• 别名: 6-chloro-N-[(1-ethyl-1H-pyrazol-4-yl)methyl]-N-(2-methoxyethyl)-2-methylimidazo[1,2-a]pyridine-3-carboxamide

理论计算性质

JChem

• 质子受体: 4
• 质子供体: 0
• LogD (pH = 5.5): 1.1137887
• LogD (pH = 7.4): 1.1742914
• Log P: 1.1751235
• 摩尔折射率: 113.3901 cm^3
• 极化性: 37.880726 Å^3
• 极化表面积: 64.66 Å^2
• 可自由旋转的化学键: 7
• 里宾斯基五规则: true

Provided by Chembridge

• 质子受体: 4
• 质子供体: 0
• Log P: 1.64
• LOG S: -3.34
• 极化表面积: 64.66 Å^2
• 可自由旋转的化学键: 7